CID 70250148

C16H15KN3O — CID 70250148

IUPAC—
SMILESCC(=O)Nc1ccccc1.[K].c1ccc2nccnc2c1
InChIInChI=1S/C8H6N2.C8H9NO.K/c1-2-4-8-7(3-1)9-5-6-10-8;1-7(10)9-8-5-3-2-4-6-8;/h1-6H;2-6H,1H3,(H,9,10);
InChIKeyWALQBSIXDXAUFL-UHFFFAOYSA-N
MW304.41 g/mol
LogP2.89
Rot. Bonds1

About CID 70250148

CID 70250148 (PubChem CID 70250148) has the molecular formula C16H15KN3O and a molecular weight of 304.41 g/mol.

Molecular Properties

Compound NameCID 70250148
PubChem CID70250148
Molecular FormulaC16H15KN3O
Molecular Weight304.41 g/mol
Exact Mass304.09
IUPAC Name—
SMILESCC(=O)Nc1ccccc1.[K].c1ccc2nccnc2c1
InChIInChI=1S/C8H6N2.C8H9NO.K/c1-2-4-8-7(3-1)9-5-6-10-8;1-7(10)9-8-5-3-2-4-6-8;/h1-6H;2-6H,1H3,(H,9,10);
InChIKeyWALQBSIXDXAUFL-UHFFFAOYSA-N
XLogP2.89
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 70250148?
The IUPAC name of CID 70250148 (CID 70250148) is not available.
What is the SMILES notation for CID 70250148?
The canonical SMILES for CID 70250148 is CC(=O)Nc1ccccc1.[K].c1ccc2nccnc2c1.
What is the InChIKey of CID 70250148?
The InChIKey is WALQBSIXDXAUFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2.C8H9NO.K/c1-2-4-8-7(3-1)9-5-6-10-8;1-7(10)9-8-5-3-2-4-6-8;/h1-6H;2-6H,1H3,(H,9,10);.
What are the key properties of CID 70250148?
CID 70250148 has a molecular weight of 304.41 g/mol, XLogP of 2.89, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 70250148 is sourced from PubChem (CID 70250148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).